7-bromodibenzofuran-3-carbaldehyde

C13H7BrO2 — CID 59412938

IUPAC7-bromodibenzofuran-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)oc1cc(Br)ccc12
InChIInChI=1S/C13H7BrO2/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-7H
InChIKeyIANKPXORUMCTHE-UHFFFAOYSA-N
MW275.10 g/mol
LogP4.16
Rot. Bonds1

About 7-bromodibenzofuran-3-carbaldehyde

7-bromodibenzofuran-3-carbaldehyde (PubChem CID 59412938) has the molecular formula C13H7BrO2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 7-bromodibenzofuran-3-carbaldehyde.

Molecular Properties

Compound Name7-bromodibenzofuran-3-carbaldehyde
PubChem CID59412938
Molecular FormulaC13H7BrO2
Molecular Weight275.10 g/mol
Exact Mass273.96
IUPAC Name7-bromodibenzofuran-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)oc1cc(Br)ccc12
InChIInChI=1S/C13H7BrO2/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-7H
InChIKeyIANKPXORUMCTHE-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromodibenzofuran-3-carbaldehyde?
The IUPAC name of 7-bromodibenzofuran-3-carbaldehyde (CID 59412938) is 7-bromodibenzofuran-3-carbaldehyde.
What is the SMILES notation for 7-bromodibenzofuran-3-carbaldehyde?
The canonical SMILES for 7-bromodibenzofuran-3-carbaldehyde is O=Cc1ccc2c(c1)oc1cc(Br)ccc12.
What is the InChIKey of 7-bromodibenzofuran-3-carbaldehyde?
The InChIKey is IANKPXORUMCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO2/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-7H.
What are the key properties of 7-bromodibenzofuran-3-carbaldehyde?
7-bromodibenzofuran-3-carbaldehyde has a molecular weight of 275.10 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromodibenzofuran-3-carbaldehyde is sourced from PubChem (CID 59412938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).